Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.3104   -0.7489    0.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772    0.0444    1.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909    0.2199    0.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9016   -0.3546   -0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020   -0.1538   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    0.6145   -0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0803    1.1774    0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173    0.9858    1.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5771    0.8377   -1.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6415   -0.1958   -1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -0.2266    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3201   -0.2538    1.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5218   -0.2794   -0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0308   -1.8071    0.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2312   -0.7276    1.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7018   -0.9724   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5349   -0.6066   -2.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8354    1.7957    0.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485    1.4607    2.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9598    1.8849   -1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3984    0.7161   -2.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4291   -0.1567   -1.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0764   -1.1888   -1.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2812    0.2506   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5204   -0.5806    2.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2394   -0.0206    1.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers